3-methyl-N-propan-2-yl-1H-indole-7-carboxamide

C13H16N2O — CID 166796769

IUPAC3-methyl-N-propan-2-yl-1H-indole-7-carboxamide
SMILESCc1c[nH]c2c(C(=O)NC(C)C)cccc12
InChIInChI=1S/C13H16N2O/c1-8(2)15-13(16)11-6-4-5-10-9(3)7-14-12(10)11/h4-8,14H,1-3H3,(H,15,16)
InChIKeyPMTIKLQOQMCLMB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.61
Rot. Bonds2

About 3-methyl-N-propan-2-yl-1H-indole-7-carboxamide

3-methyl-N-propan-2-yl-1H-indole-7-carboxamide (PubChem CID 166796769) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-1H-indole-7-carboxamide
PubChem CID166796769
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-methyl-N-propan-2-yl-1H-indole-7-carboxamide
SMILESCc1c[nH]c2c(C(=O)NC(C)C)cccc12
InChIInChI=1S/C13H16N2O/c1-8(2)15-13(16)11-6-4-5-10-9(3)7-14-12(10)11/h4-8,14H,1-3H3,(H,15,16)
InChIKeyPMTIKLQOQMCLMB-UHFFFAOYSA-N
XLogP2.61
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
2-ethenyl-3-methyl-N-propan-2-ylbenzamide
CID 169452425
1-(3-methyl-1H-indol-7-yl)propan-2-one
CID 117205247
N,2-di(propan-2-yl)benzamide
CID 14972595
2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 153307876
2-iodo-6-methyl-N-propan-2-ylbenzamide
CID 162534014
8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
CID 166326762
7-ethyl-3-methyl-1H-indole
CID 13271010
2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid
CID 23498614
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 119225264
2-(7-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847883
7-fluoro-3-methyl-1H-indole
CID 55287812

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-1H-indole-7-carboxamide?
The IUPAC name of 3-methyl-N-propan-2-yl-1H-indole-7-carboxamide (CID 166796769) is 3-methyl-N-propan-2-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-1H-indole-7-carboxamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-1H-indole-7-carboxamide is Cc1c[nH]c2c(C(=O)NC(C)C)cccc12.
What is the InChIKey of 3-methyl-N-propan-2-yl-1H-indole-7-carboxamide?
The InChIKey is PMTIKLQOQMCLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8(2)15-13(16)11-6-4-5-10-9(3)7-14-12(10)11/h4-8,14H,1-3H3,(H,15,16).
What are the key properties of 3-methyl-N-propan-2-yl-1H-indole-7-carboxamide?
3-methyl-N-propan-2-yl-1H-indole-7-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 166796769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).